5-[[4-[2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-cyano-3-(3-ethoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[2-cyano-3-keto-3-(m-phenetidino)prop-1-enyl]-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(O3)C(=O)O)OC)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(O3)C(=O)O)OC)C#N

InChI

InChI=1S/C25H22N2O7/c1-3-32-19-6-4-5-18(13-19)27-24(28)17(14-26)11-16-7-9-21(23(12-16)31-2)33-15-20-8-10-22(34-20)25(29)30/h4-13H,3,15H2,1-2H3,(H,27,28)(H,29,30)